N'-(thiophen-2-ylmethylideneamino)-N-[4-(trifluoromethyl)phenyl]oxamide

C14H10F3N3O2S — CID 4050044

IUPACN'-(thiophen-2-ylmethylideneamino)-N-[4-(trifluoromethyl)phenyl]oxamide
SMILESO=C(NN=Cc1cccs1)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H10F3N3O2S/c15-14(16,17)9-3-5-10(6-4-9)19-12(21)13(22)20-18-8-11-2-1-7-23-11/h1-8H,(H,19,21)(H,20,22)
InChIKeyNQRCWQORWNXEQX-UHFFFAOYSA-N
MW341.31 g/mol
LogP2.86
Rot. Bonds3

About N'-(thiophen-2-ylmethylideneamino)-N-[4-(trifluoromethyl)phenyl]oxamide

N'-(thiophen-2-ylmethylideneamino)-N-[4-(trifluoromethyl)phenyl]oxamide (PubChem CID 4050044) has the molecular formula C14H10F3N3O2S and a molecular weight of 341.31 g/mol. Its IUPAC name is N'-(thiophen-2-ylmethylideneamino)-N-[4-(trifluoromethyl)phenyl]oxamide.

Molecular Properties

Compound NameN'-(thiophen-2-ylmethylideneamino)-N-[4-(trifluoromethyl)phenyl]oxamide
PubChem CID4050044
Molecular FormulaC14H10F3N3O2S
Molecular Weight341.31 g/mol
Exact Mass341.04
IUPAC NameN'-(thiophen-2-ylmethylideneamino)-N-[4-(trifluoromethyl)phenyl]oxamide
SMILESO=C(NN=Cc1cccs1)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H10F3N3O2S/c15-14(16,17)9-3-5-10(6-4-9)19-12(21)13(22)20-18-8-11-2-1-7-23-11/h1-8H,(H,19,21)(H,20,22)
InChIKeyNQRCWQORWNXEQX-UHFFFAOYSA-N
XLogP2.86
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.31
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(thiophen-2-ylmethylideneamino)-N-[3-(trifluoromethyl)phenyl]oxamide
CID 2244375
N-(4-ethylphenyl)-N'-(thiophen-2-ylmethylideneamino)oxamide
CID 3859686
methyl 4-[[2-oxo-2-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]acetyl]amino]benzoate
CID 133240887
N-(2-fluorophenyl)-N'-(thiophen-2-ylmethylideneamino)oxamide
CID 3639139
N'-[(E)-1-thiophen-2-ylethylideneamino]-N-[4-(trifluoromethyl)phenyl]oxamide
CID 19659603
N-naphthalen-1-yl-N'-[(Z)-thiophen-2-ylmethylideneamino]oxamide
CID 5373375
N-[(E)-thiophen-2-ylmethylideneamino]carbamate
CID 23220005
2,2,2-trichloro-N-[(E)-thiophen-2-ylmethylideneamino]acetamide
CID 11000179
N-(2-methylpropyl)-N'-[(E)-thiophen-2-ylmethylideneamino]oxamide
CID 5333361
2-(4-tert-butylphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
CID 6368519
N-methyl-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 44998962
N-(2-hydroxy-2-thiophen-2-ylethyl)-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 71782461

Frequently Asked Questions

What is the IUPAC name of N'-(thiophen-2-ylmethylideneamino)-N-[4-(trifluoromethyl)phenyl]oxamide?
The IUPAC name of N'-(thiophen-2-ylmethylideneamino)-N-[4-(trifluoromethyl)phenyl]oxamide (CID 4050044) is N'-(thiophen-2-ylmethylideneamino)-N-[4-(trifluoromethyl)phenyl]oxamide.
What is the SMILES notation for N'-(thiophen-2-ylmethylideneamino)-N-[4-(trifluoromethyl)phenyl]oxamide?
The canonical SMILES for N'-(thiophen-2-ylmethylideneamino)-N-[4-(trifluoromethyl)phenyl]oxamide is O=C(NN=Cc1cccs1)C(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N'-(thiophen-2-ylmethylideneamino)-N-[4-(trifluoromethyl)phenyl]oxamide?
The InChIKey is NQRCWQORWNXEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3O2S/c15-14(16,17)9-3-5-10(6-4-9)19-12(21)13(22)20-18-8-11-2-1-7-23-11/h1-8H,(H,19,21)(H,20,22).
What are the key properties of N'-(thiophen-2-ylmethylideneamino)-N-[4-(trifluoromethyl)phenyl]oxamide?
N'-(thiophen-2-ylmethylideneamino)-N-[4-(trifluoromethyl)phenyl]oxamide has a molecular weight of 341.31 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(thiophen-2-ylmethylideneamino)-N-[4-(trifluoromethyl)phenyl]oxamide is sourced from PubChem (CID 4050044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).